From chemistry-request@ccl.net Wed Nov 27 02:54:13 1991
From: Ales.Zupan@ijs.ac.mail.yu
Date: 27 Nov 91  6:42 
To: CHEMISTRY@ccl.net
Subject: HP7xx molecular graphics
Status: R

VMSmail To information: MAIL$::"chemistry@ccl.net"
Sender's personal name: ALES ZUPAN

Hello!

We have heard almost all about the speed of HP 7xx, but not much has been said 
about the *CHEAP* software available. 

At our department we would like to have a very simple visualizer for 
molecular graphics ( balls and sticks, some rotation, possible input from
Gaussian, Mopac, ... ). Have you got any idea if such a program exists?

			Thanks in advance, Ales


				Ales Zupan
				Jozef Stefan Institute
				Jamova 39
				Ljubljana
				SLOVENIA

				ales.zupan@ijs.ac.mail.yu

From chemistry-request@ccl.net Wed Nov 27 04:12:31 1991
Date: Wed, 27 Nov 91 09:54:29 +0100
From: bio320@cvx12.inet.dkfz-heidelberg.de (Friedrich Rippmann)
To: chemistry@ccl.net
Subject: discussion groups in structural biology
Status: R

Does anybody know of other discussion groups where modelling or 
structural biology plays an important role? The only groups I know
about so far is this one (chemistry@ccl.net) and the
SYBYL and WHATIF user groups. I would be interested in
anything more related to biology, e.g. forthcoming xray structures, 
hypotheses on
structural problems in immunology (e.g. how do the T cell receptor and the 
MHC interact), in diabetes, in Alzheimer's disease, etc. etc.
Thank you for your attention, and I'm looking forward to
thrilling discussions (if such structural biology oriented groups exist).
Friedrich Rippmann
Internet: bio320@cvx12.inet.dkfz-heidelberg.de

From chemistry-request@ccl.net Wed Nov 27 11:10:35 1991
Date: Wed, 27 Nov 91 10:52:19 EST
From: "Abbas Farazdel, Ph.D." <FARAZDEL@nycvmic1.vnet.ibm.com>
To: chemistry@ccl.net
Subject: NMR mail exploder
Status: R

I would greatly appreciate receiving the e-mail address of NMR mail exploder.

Thanx. Abbas Farazdel

Internet: farazdel@nycvmic1.vnet.ibm.com


From jkl@ccl.net Wed Nov 27 14:14:36 1991
Date: Wed, 27 Nov 91 13:43:00 -0500
From: jkl@ccl.net
Subject: Re:      SCRF Hamiltonian
To: chemistry@ccl.net
Status: R

Forwarding to the list (jkl@ccl.net)
---------- Begin Forwarded Message ----------
> >From BCHM003@UNLVM.UNL.EDU Wed Nov 27 10:16:09 1991
> From: "Dr. Piotr Paneth" <BCHM003@UNLVM.UNL.EDU>
> Subject:      SCRF Hamiltonian
> To: chemistry-request@ccl.net
> 
> Hi there,
> 
> does anybody know any site where I could get Mopac or Ampac programs
> with SCRF method implementation? The code may be for unix, cms or vms.
> The most preferable would be unix version of Mopac 6.0.
> 
> Thanks,
> Piotr
> ----------- End Forwarded Message -----------
> 


From chemistry-request@ccl.net Wed Nov 27 14:47:37 1991
Date: Wed, 27 Nov 1991 14:00 GMT
From: XRASIMMIE%cs8700.ucg.ie@OHSTVMA.ACS.OHIO-STATE.EDU
Subject: mopac/maxhev,maxlit/array dims
To: chemistry@ccl.net
Status: R

 We are using MOPAC (ver. 3.10) to do the fullerenes C_60 etc
 as student projects
 and are running up against very large arrays in part due
 to not being able to set maxlit (no. of H atoms) = 0

 Is the latest version different? And what is the email address
 of QCPE please?